N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide

C15H12N4O3S — CID 17428702

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1
InChIInChI=1S/C15H12N4O3S/c1-8(20)11-7-23-15(16-11)17-13(21)12-9-5-3-4-6-10(9)14(22)19(2)18-12/h3-7H,1-2H3,(H,16,17,21)
InChIKeyJUCIXXSEUZZTKG-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.84
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 17428702) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID17428702
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1
InChIInChI=1S/C15H12N4O3S/c1-8(20)11-7-23-15(16-11)17-13(21)12-9-5-3-4-6-10(9)14(22)19(2)18-12/h3-7H,1-2H3,(H,16,17,21)
InChIKeyJUCIXXSEUZZTKG-UHFFFAOYSA-N
XLogP1.84
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 35847681
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 78913584
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26469492
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 17428702) is N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide is CC(=O)c1csc(NC(=O)c2nn(C)c(=O)c3ccccc23)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is JUCIXXSEUZZTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-8(20)11-7-23-15(16-11)17-13(21)12-9-5-3-4-6-10(9)14(22)19(2)18-12/h3-7H,1-2H3,(H,16,17,21).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 17428702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).